N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide

C20H19N5O2 — CID 86996807

IUPACN-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
SMILESO=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H19N5O2/c26-18(22-12-20(10-11-20)15-4-2-1-3-5-15)19(27)24-16-6-8-17(9-7-16)25-14-21-13-23-25/h1-9,13-14H,10-12H2,(H,22,26)(H,24,27)
InChIKeyOAPRKUBUZVKBAU-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.05
Rot. Bonds5

About N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide

N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide (PubChem CID 86996807) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
PubChem CID86996807
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
SMILESO=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H19N5O2/c26-18(22-12-20(10-11-20)15-4-2-1-3-5-15)19(27)24-16-6-8-17(9-7-16)25-14-21-13-23-25/h1-9,13-14H,10-12H2,(H,22,26)(H,24,27)
InChIKeyOAPRKUBUZVKBAU-UHFFFAOYSA-N
XLogP2.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-fluorophenyl)-N-[(1S)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 10019891
1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 3230219
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 44332921
2-(3-nitro-1,2,4-triazol-1-yl)-N-(3-phenylphenyl)acetamide
CID 122188138
N-(4-benzylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188140
N-benzyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 889555
N-(2-benzylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2612876
US9815796, Example 363
CID 139268287
2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 1439261
1-(2,2-dimethylpropanoyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 24247486
1-[2-(benzylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 44601549
N-(3,4-dimethylphenyl)-1-[2-oxo-2-(2-phenylpropylamino)ethyl]-1,2,4-triazole-3-carboxamide
CID 44601559

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide (CID 86996807) is N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide is O=C(NCC1(c2ccccc2)CC1)C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
The InChIKey is OAPRKUBUZVKBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-18(22-12-20(10-11-20)15-4-2-1-3-5-15)19(27)24-16-6-8-17(9-7-16)25-14-21-13-23-25/h1-9,13-14H,10-12H2,(H,22,26)(H,24,27).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide has a molecular weight of 361.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide is sourced from PubChem (CID 86996807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).